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Compound Information
SONAR Target prediction
Name:
NEOSTIGMINE BROMIDE
Unique Identifier:
SPE01500428
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
Molecular Weight:
284.045 g/mol
X log p:
8.357
(online calculus)
Lipinksi Failures
1
TPSA
29.54
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
3
Rotatable Bond Count:
4
Canonical Smiles:
[BrH-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Source:
synthetic
Therapeutics:
cholinergic
Found: 205 nonactive as graph:
single
|
with analogs
[1]
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[205]
Species:
4932
Condition:
BY4741
Replicates:
2
Raw OD Value:
r
im
0.7360±0.0104652
Normalized OD Score:
sc
h
0.9619±0.0140305
Z-Score:
0.3634±0.594041
p-Value:
0.694092
Z-Factor:
-9.05249
Fitness Defect:
0.3652
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum_ED
Plate Number and Position:
4|A10
Drug Concentration:
50.00 nM
OD Absorbance:
595 nm
Robot Temperature:
30.00 Celcius
Date:
2010-08-10 YYYY-MM-DD
Plate CH Control (+):
0.0835±0.01045
Plate DMSO Control (-):
0.94975±0.03511
Plate Z-Factor:
0.8901
png
ps
pdf
DBLink | Rows returned: 10
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2
46106
dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
46107
(3-dimethylaminophenyl) N-methylcarbamate
47058
trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
49115
[3-(dimethylcarbamoyloxy)phenyl]-dimethyl-azanium chloride
internal high similarity DBLink | Rows returned: 1
LOPAC 00212
1.0000
active
| Cluster 2833 | Additional Members: 5 | Rows returned: 0
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Mike Tyers Laboratory